(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide

C12H13Cl2NO2 — CID 898785

IUPAC(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1CC1
InChIInChI=1S/C12H13Cl2NO2/c1-7(12(16)15-9-3-4-9)17-11-5-2-8(13)6-10(11)14/h2,5-7,9H,3-4H2,1H3,(H,15,16)/t7-/m0/s1
InChIKeyNTZJJSQASVIRII-ZETCQYMHSA-N
MW274.15 g/mol
LogP3.04
Rot. Bonds4

About (2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide

(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide (PubChem CID 898785) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
PubChem CID898785
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1CC1
InChIInChI=1S/C12H13Cl2NO2/c1-7(12(16)15-9-3-4-9)17-11-5-2-8(13)6-10(11)14/h2,5-7,9H,3-4H2,1H3,(H,15,16)/t7-/m0/s1
InChIKeyNTZJJSQASVIRII-ZETCQYMHSA-N
XLogP3.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862559
(2S)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832796
(2R)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832797
2-(4-acetyl-2-chlorophenoxy)-N-cyclopropylpropanamide
CID 113389862
N-cyclopropyl-3-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylbenzamide
CID 55783367
2-(2-chloro-4-fluorophenoxy)-N-(4-methylcyclohexyl)propanamide
CID 78840990
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 8837824
2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide
CID 2932831
2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopentylpropanamide
CID 78933522
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862297
(2S)-2-(2-chloro-4-phenylphenoxy)-N-cyclopentylpropanamide
CID 7652970

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide (CID 898785) is (2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide is C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide?
The InChIKey is NTZJJSQASVIRII-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c1-7(12(16)15-9-3-4-9)17-11-5-2-8(13)6-10(11)14/h2,5-7,9H,3-4H2,1H3,(H,15,16)/t7-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide?
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide has a molecular weight of 274.15 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 898785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).